Glycoside
...
GD058440

Name:
None

Formula:
C10H18O9N2S

Smiles:
C[C@@H](C#N)C(=O)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O

Aglycone:
CC(C#N)C(N)=O.COS(O)(O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 7 FractionCSP3: 0.8
AlogP: -1.77 Num_rotatable_bonds: 5
MolWt: 342.33 Num_heavy_atoms: 22
TPSA: 192.73 NumAromaticRings: 0

Unique Aglycone
AD12993
Formula: CH6O4S

Smiles:
COS(O)(O)O
HBA: 4 RingCount: 0
HBD: 3 FractionCSP3: 1.0
AlogP: 0.77 Num_rotatable_bonds: 1
MolWt: 114.12 Num_heavy_atoms: 6
TPSA: 69.92 NumAromaticRings: 0
AD25205
Formula: C4H6ON2

Smiles:
CC(C#N)C(N)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 1
MolWt: 98.11 Num_heavy_atoms: 7
TPSA: 66.88 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O